ChemSpider 2D Image | 2-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine | C9H7N7O2S

2-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC9H7N7O2S
  • Average mass277.263 Da
  • Monoisotopic mass277.038177 Da
  • ChemSpider ID39863571

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
2-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
2-[(3-Nitro-1H-1,2,4-triazol-1-yl)méthyl]thiéno[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4-amine, 2-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.974
Molar Refractivity: 67.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 36.22
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 42.10
Polar Surface Area: 157 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 114.8±7.0 dyne/cm
Molar Volume: 138.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement